methyl 2-[(3-amino-6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]acetate

C16H15N3O4S — CID 155515018

IUPACmethyl 2-[(3-amino-6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1sc2nc3ccc(OC)cc3cc2c1N
InChIInChI=1S/C16H15N3O4S/c1-22-9-3-4-11-8(5-9)6-10-13(17)14(24-16(10)19-11)15(21)18-7-12(20)23-2/h3-6H,7,17H2,1-2H3,(H,18,21)
InChIKeyVIDHZARRYJWCFK-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.94
Rot. Bonds4

About methyl 2-[(3-amino-6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]acetate

methyl 2-[(3-amino-6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]acetate (PubChem CID 155515018) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is methyl 2-[(3-amino-6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-amino-6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]acetate
PubChem CID155515018
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC Namemethyl 2-[(3-amino-6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1sc2nc3ccc(OC)cc3cc2c1N
InChIInChI=1S/C16H15N3O4S/c1-22-9-3-4-11-8(5-9)6-10-13(17)14(24-16(10)19-11)15(21)18-7-12(20)23-2/h3-6H,7,17H2,1-2H3,(H,18,21)
InChIKeyVIDHZARRYJWCFK-UHFFFAOYSA-N
XLogP1.94
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(3-amino-6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-cyclopentyl-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 856692
3-amino-N-tert-butyl-6-ethoxythieno[2,3-b]quinoline-2-carboxamide
CID 3207407
3-amino-6-methoxy-N-(2-methylcyclohexyl)thieno[2,3-b]quinoline-2-carboxamide
CID 3167506
methyl 3-amino-6-ethoxythieno[2,3-b]quinoline-2-carboxylate
CID 865502
3-amino-N-(2-carbamoylphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 3599566
3-amino-N-(2-ethoxyphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 3207356
3-amino-7-methoxy-N-(4-methoxyphenyl)thieno[2,3-b]quinoline-2-carboxamide
CID 1132039
3-amino-6-ethoxy-N-phenylthieno[2,3-b]quinoline-2-carboxamide
CID 1156787
methyl 3-amino-6-ethylthieno[2,3-b]quinoline-2-carboxylate
CID 855651
3-amino-N-(2,5-dimethoxyphenyl)-6,7-dimethylthieno[2,3-b]quinoline-2-carboxamide
CID 43812053
methyl 3-amino-6-fluorothieno[2,3-b]quinoline-2-carboxylate
CID 155568119
3-amino-6-ethoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide
CID 3207423

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-amino-6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(3-amino-6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]acetate (CID 155515018) is methyl 2-[(3-amino-6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(3-amino-6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(3-amino-6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]acetate is COC(=O)CNC(=O)c1sc2nc3ccc(OC)cc3cc2c1N.
What is the InChIKey of methyl 2-[(3-amino-6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]acetate?
The InChIKey is VIDHZARRYJWCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-22-9-3-4-11-8(5-9)6-10-13(17)14(24-16(10)19-11)15(21)18-7-12(20)23-2/h3-6H,7,17H2,1-2H3,(H,18,21).
What are the key properties of methyl 2-[(3-amino-6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]acetate?
methyl 2-[(3-amino-6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]acetate has a molecular weight of 345.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-amino-6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]acetate is sourced from PubChem (CID 155515018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).